| SpectraBase Compound ID | FGdT44j1MsM |
|---|---|
| InChI | InChI=1S/C14H7F5N2OS/c1-6(22)7-2-4-8(5-3-7)20-23-21-14-12(18)10(16)9(15)11(17)13(14)19/h2-5H,1H3 |
| InChIKey | YIXDRFVSVHQBER-UHFFFAOYSA-N |
| Mol Weight | 346.28 g/mol |
| Molecular Formula | C14H7F5N2OS |
| Exact Mass | 346.019925 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESuF13l0T9n |
|---|---|
| Name | N-Pentafluorophenyl-N'-para-acetylphenylthiodiimide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.019924841 u |
| Formula | C14H7F5N2OS |
| InChI | InChI=1S/C14H7F5N2OS/c1-6(22)7-2-4-8(5-3-7)20-23-21-14-12(18)10(16)9(15)11(17)13(14)19/h2-5H,1H3 |
| InChIKey | YIXDRFVSVHQBER-UHFFFAOYSA-N |
| Molecular Weight | 346.275 g/mol |
| SMILES | c1(N=S=Nc2ccc(cc2)C(C)=O)c(F)c(F)c(c(c1F)F)F |